SCHEMBL607935

SCHEMBL607935

Cc1ccc(-c2ccccc2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CO)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.49
HCRTR2 O43614 13/20 0.49
CYP3A4 P08684 1/20 0.44
SRC P12931 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL609561 0.87 HCRTR2 (0.63) HCRTR1HCRTR2
SCHEMBL609528 0.84 HCRTR1 (0.45) HCRTR1HCRTR2CYP3A4
SCHEMBL7869957 0.84 HCRTR1 (0.45) HCRTR1HCRTR2CYP3A4
SCHEMBL610794 0.83 HCRTR1 (0.44) HCRTR1HCRTR2CYP3A4
SCHEMBL607019 0.83 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL607971 0.82 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL7861881 0.82 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL611427 0.82 HCRTR2 (0.43) HCRTR1HCRTR2CYP3A4
SCHEMBL611279 0.81 CYP3A4 (0.52) HCRTR1HCRTR2CYP3A4
SCHEMBL610085 0.81 HCRTR1 (0.44) HCRTR1HCRTR2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885CYP3A4 862/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.